CID 121606005

39161-14-3

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC1(C(CCO1)CO)C

InChI

InChI=1S/C7H14O2/c1-7(2)6(5-8)3-4-9-7/h6,8H,3-5H2,1-2H3

InChIKey

BEYBWQCQEUCUJL-UHFFFAOYSA-N

Compound name

(2,2-dimethyloxolan-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 130.09938 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	131.106656	125.9
[M+Na]+	153.088598	133.4
[M-H]-	129.092104	128.8
[M+NH4]+	148.133203	149.9
[M+K]+	169.062538	133.8
[M+H-H2O]+	113.096640	122.4
[M+HCOO]-	175.097581	146.9
[M+CH3COO]-	189.113231	168.1
[M+Na-2H]-	151.074046	132.1
[M]+	130.09883142	125.1
[M]-	130.09992858	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe